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U5(CoGe)8

Alexandria ALEX

Alex-ID: agm008223530 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
U5(CoGe)8
Alex-ID
agm008223530
Elements
3
Sites
21
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
341.66
ų
Cell a
7.4114
Å
Cell b
7.4114
Å
Cell c
12.1168
Å
α angle
104.44
°
β angle
104.44
°
γ angle
32.11
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
U5(CoGe)8
U
5.00 · 23.8%
Co
8.00 · 38.1%
Ge
8.00 · 38.1%

Energy & Stability

Energy above hull
0.1111
eV/atom
Formation energy
-0.2422
eV/atom
Corrected total energy
-155.4555
eV
Raw total energy
-155.4555
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
25.7802
Total magnetisation
1.3653
μB

Additional Information

Prototype ID

A5B8C8_55_spg12

Decomposition

U(CoGe)2 U3Co3Ge4 U2Co3Ge

Computed at

2024-04-21 21:13:52.845881

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008223530).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX 
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm008223530
data_agm008223530
_cell_length_a     7.41143
_cell_length_b     7.41143
_cell_length_c     12.11677
_cell_angle_alpha  104.44404
_cell_angle_beta   104.44404
_cell_angle_gamma  32.11036
_cell_volume       341.65728
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  U1 U 0.11729 0.11729 0.77856 1.00000
  U2 U 0.88271 0.88271 0.22144 1.00000
  U3 U 0.09622 0.09622 0.43224 1.00000
  U4 U 0.90378 0.90378 0.56776 1.00000
  U5 U 0.50000 0.50000 0.00000 1.00000
  Co1 Co 0.13424 0.13424 0.01458 1.00000
  Co2 Co 0.86576 0.86576 0.98542 1.00000
  Co3 Co 0.26423 0.26423 0.23503 1.00000
  Co4 Co 0.73577 0.73577 0.76497 1.00000
  Co5 Co 0.27888 0.27888 0.44873 1.00000
  Co6 Co 0.72112 0.72112 0.55127 1.00000
  Co7 Co 0.52630 0.52630 0.25651 1.00000
  Co8 Co 0.47370 0.47370 0.74349 1.00000
  Ge1 Ge 0.08023 0.08023 0.17979 1.00000
  Ge2 Ge 0.91977 0.91977 0.82021 1.00000
  Ge3 Ge 0.28800 0.28800 0.66405 1.00000
  Ge4 Ge 0.71200 0.71200 0.33595 1.00000
  Ge5 Ge 0.30727 0.30727 0.05011 1.00000
  Ge6 Ge 0.69273 0.69273 0.94989 1.00000
  Ge7 Ge 0.43296 0.43296 0.39775 1.00000
  Ge8 Ge 0.56704 0.56704 0.60225 1.00000
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